Crystallography Open Database

Information card for entry 7115470

Preview

Coordinates	7115470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 N12
Calculated formula	C72 H84 N12
Title of publication	Guest control of structure in porous organic cages
Authors of publication	Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	9465
a	25.2084 ± 0.0015 Å
b	25.2084 ± 0.0015 Å
c	11.0674 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	6090.7 ± 0.6 Å³
Cell temperature	400 ± 2 K
Ambient diffraction temperature	400 ± 2 K
Number of distinct elements	3
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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